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2,2',2''-(Benzene-1,3,5-triyl)triacetonitrile
[CAS# 80935-59-7]

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Identification
Name2,2',2''-(Benzene-1,3,5-triyl)triacetonitrile
Synonyms2-[3,5-bis(cyanomethyl)phenyl]acetonitrile
Molecular StructureCAS # 80935-59-7, 2,2',2''-(Benzene-1,3,5-triyl)triacetonitrile
Molecular FormulaC12H9N3
Molecular Weight195.22
CAS Registry Number80935-59-7
SMILESC1=C(C=C(C=C1CC#N)CC#N)CC#N
Properties
Solubility6335 mg/L (25 °C water)
Density1.2±0.1 g/cm3, Calc.*
Index of Refraction1.564, Calc.*
Melting point137.65 °C
Boiling Point395.79 °C, 429.0±40.0 °C (760 mmHg), Calc.*
Flash Point216.3±21.2 °C, Calc.*
*Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbolssymbol   GHS06 Danger  Details
Risk StatementsH301+H311+H331-H315-H319  Details
Safety StatementsP501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405  Details
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